N-(2,6-dimethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C17H17N5OS/c1-11-5-3-6-12(2)15(11)19-14(23)10-24-17-20-16(21-22-17)13-7-4-8-18-9-13/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)